团校培训Molecular Dynamics Study on Winter Flounder Antifreeze Protein and its Binding Mechanism 期刊名称: Molecular Simulation
古风语录作者: Hong, Ji Suk,Jung, Dong Hyun,Jhon, Mu Shik丞相
年份: 1998年投标者
期号: 第5期
firmly
二锅头度数>炒平菇的家常做法关键词: antifreeze protein; molecular dynamics simulation; mutation study;
amphiphilicity; water structure
美的全球创新中心摘要:In order to study the antifreezing mechanism of the HPLC6 antifreeze protein and its structural effects on the antifreezing activity, molecular dynamics simulations for this protein in aqueous solution were carried out at two different temperatures (300 K and 253 K). The results of the simulations showed that the binding mechanism of the antifreeze protein is mainly due to the adsorption of the molecule to the ice crystal surface and thereby inhibiting the ice growth. The hydrogen bonds between
the threonine residues and the oxygen atoms in the ice play an important role in this mechanism. Mutation study was carried out to verify the mechanism. In addition, hydrophobic alanine residues are located on the opposite side of threonine residues and they repel water molecules to prevent water molecules from approaching the ice surface.
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